Table 1. NMR and refinement statistics of the Binder/α-tubulin complex.
| NMR restraints | |
|---|---|
| Unambiguous restraints (intermolecular NOEs) | 58 |
| Ambiguous restraints (CSPs) | 10 |
| HADDOCK parameters | |
| Cluster Size | 200 |
| HADDOCK score | −71.7 (± 1.2) |
| Van Der Waals energy | −34.2 (± 3.4) |
| Electrostatic energy | −262.1 (± 27.8) |
| Restraints violation energy | +4.6 (± 0.7) |
| Buried surface area | +1163.3 (± 25.1) |
| All backbone | 0.4 |
| All heavy atoms | 0.6 |
| RMS deviationsa | |
| Bond angles | 0.6° |
| Bond lengths | 0.004 Å |
| Molprobity clashscoreb | 2.5 (99th percentile) |
| Ramachandran statisticsa | |
| Most favored (%) | 90.8 |
| Additionally allowed (%) | 9.1 |
| Generously allowed (%) | 0.1 |
| Disallowed (%) | 0.0 |
a
Calculated for an ensemble of 20 lowest energy structures.
b
Calculated for the lowest energy structure.